2-chloro-6-fluoro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide

C20H13ClFN3O3 — CID 71800575

IUPAC2-chloro-6-fluoro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1c(F)cccc1Cl
InChIInChI=1S/C20H13ClFN3O3/c21-13-6-3-7-14(22)18(13)20(26)23-15-8-2-1-5-12(15)11-17-24-19(25-28-17)16-9-4-10-27-16/h1-10H,11H2,(H,23,26)
InChIKeyRFPFXSBTIJNJKY-UHFFFAOYSA-N
MW397.79 g/mol
LogP4.97
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide

2-chloro-6-fluoro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide (PubChem CID 71800575) has the molecular formula C20H13ClFN3O3 and a molecular weight of 397.79 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide
PubChem CID71800575
Molecular FormulaC20H13ClFN3O3
Molecular Weight397.79 g/mol
Exact Mass397.06
IUPAC Name2-chloro-6-fluoro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1c(F)cccc1Cl
InChIInChI=1S/C20H13ClFN3O3/c21-13-6-3-7-14(22)18(13)20(26)23-15-8-2-1-5-12(15)11-17-24-19(25-28-17)16-9-4-10-27-16/h1-10H,11H2,(H,23,26)
InChIKeyRFPFXSBTIJNJKY-UHFFFAOYSA-N
XLogP4.97
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.79
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide (CID 71800575) is 2-chloro-6-fluoro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide is O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide?
The InChIKey is RFPFXSBTIJNJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O3/c21-13-6-3-7-14(22)18(13)20(26)23-15-8-2-1-5-12(15)11-17-24-19(25-28-17)16-9-4-10-27-16/h1-10H,11H2,(H,23,26).
What are the key properties of 2-chloro-6-fluoro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide?
2-chloro-6-fluoro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide has a molecular weight of 397.79 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 71800575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).